UCSF

ZINC86865020

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 23 No

CAS Numbers: 17606-72-3 , 528-50-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.45 -15.23 -16.99 8 11 0 197 342.297 8
Hi High (pH 8-9.5) -4.88 -13.69 -70.04 7 11 -1 200 341.289 8

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.